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Title: Effects of conjugation length, electron donor and acceptor strengths on two-photon absorption cross sections of asymmetric zinc-porphyrin derivatives. Author: Rubio-Pons O, Luo Y, Agren H. Journal: J Chem Phys; 2006 Mar 07; 124(9):94310. PubMed ID: 16526860. Abstract: Exceptionally large two-photon absorption cross sections at the infrared region have been revealed by time-dependent density functional theory calculations for asymmetric charge-transfer conjugated zinc-porphyrin derivatives. The largest two-photon cross section is found to be more than one order of magnitude larger than for the conventional two-photon active organic molecules. The calculations show that the formation of strong charge-transfer states depends on the length of the conjugation bridge between the zinc-porphyrin core and the electron donor/acceptor. The two-photon absorption cross section can be greatly enhanced by increasing the strengths of the electron donor/acceptor.[Abstract] [Full Text] [Related] [New Search]